기본 정보
- 표준 SMILES
COC(=O)C(F)(F)C(F)(F)F- InChIKey
JMKJCPUVEMZGEC-UHFFFAOYSA-N- 분자식
- C4H3F5O2
- 평균 분자량
- 178.06 g/mol
- 단동위원소 질량
- 178.00532044
이름 및 식별자
- 우선 이름
- Propanoic acid, 2,2,3,3,3-pentafluoro-, methyl ester
- IUPAC
- methyl 2,2,3,3,3-pentafluoropropanoate
- 영어명
- Methyl pentafluoropropionate
- 분자식
- C4H3F5O2
- 분자량
- 178.06
이름 및 동의어
Methyl pentafluoropropionate378-75-6methyl 2,2,3,3,3-pentafluoropropanoatePentafluoropropionic acid methyl esterPropanoic acid, pentafluoro-, methyl esterPerfluoropropionic acid, methyl esterEINECS 206-828-0BRN 1777501Methylester kyseliny pentafluorpropionoveMethylester kyseliny pentafluorpropionove [Czech]PROPIONIC ACID, PENTAFLUORO-, METHYL ESTERPropanoic acid, 2,2,3,3,3-pentafluoro-, methyl ester
이름 더 보기
PERFLUOROPROPIONIC ACID METHYL ESTERMETHYL PENTAFLUORMethyl pentafluoroprMethyl PerfluoropropioteMethyl perfluoropoppionatMethyl pentafluoropropioteMethyl pentafluoropropanoate
DTXSID2059930JMKJCPUVEMZGEC-UHFFFAOYSA-4-02-00-00740 (Beilstein Handbook Reference)RefChem:869130DTXCID3039408206-828-0InChI=1/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3Methyl Perfluoropropionate
데이터베이스 식별자
- CAS
378-75-6- PubChem CID
- 9783
- DTXSID
DTXSID2059930- UNII
- MP7B2SX84W
- EC Number
- 206-828-0
- Nikkaji
- J213.601E
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 160
실험 및 물리화학적 성질
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
물리화학적 성질
- 끓는 점
- 61 °C739 · 61 °C739 mm Hg(lit.)
- 밀도
- 1.393 g/mL · 1.393 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.288(lit.)
- 인화점
- 42 °F · 42 °F
- 저장 조건
- Flammables area
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- Specific Gravity
- 1.393 · 1.393
- BRN
- 1777501 · 1777501
- InChI
- InChI=1S/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3
- InChIKey
- JMKJCPUVEMZGEC-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C(F)(F)C(F)(F)F
- NIST
- Pentafluoropropanoic acid methyl ester(378-75-6)
- EPA
- Methyl pentafluoropropionate (378-75-6)
화학적 성질
clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- UF6475500
- ridadr
- UN 3272 3/PG 2
- HS 번호
- 29159000
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-37/39
- 포장분류
- II
- 위험 등급
- 3
- 위험 참고 사항
- Flammable
화학 및 산업
용도 및 제조
General Manufacturing InformationPropanoic acid, 2,2,3,3,3-pentafluoro-, methyl ester: INACTIVE
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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